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506-48-9

506-48-9 structural image
Product Name: OCTACOSANOIC ACID
Formula: C28H56O2
Synonyms: Montanic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White flakes; [Sigma-Aldrich MSDS]
Melting Point 90.9 °C
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 424.7 g/mol
XLogP3 12.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 26
Exact Mass 424.42803102 g/mol
Monoisotopic Mass 424.42803102 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 327
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Octacosanoic acid is a straight-chain saturated fatty acid that is octacosane in which one of the terminal methyl groups has been oxidised to the corresponding carboxy group. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and an ultra-long-chain fatty acid. It is a conjugate acid of an octacosanoate.